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21-Hydroxypregna-1,4,9(11),16-Tetraene-3,20-Dione 21-Acetate

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21-Hydroxypregna-1,4,9(11),16-Tetraene-3,20-Dione 21-Acetate / CAS : 37413-91-5

Appearance - UN -
HS - DG Class -
Synonyms 2-((8S,10S,13S,14S)-10,13-Dimethyl-3-oxo-6,7,8,10,12,13,14,15-Octahydro-3H-Cyclopenta[a]Phenanthren-17-yl)-2-Oxoethyl Acetate; 21-Acetoxypregna-1,4,9(11),16-Tetraene-3,20-Dione; 3,20-Dioxopregna-1,4,9(11),16-Tetraen-21-yl Acetate; 21-(Acetyloxy)-Pregna-1,4,9(11),16-Tetraene-3,20-Dione; [2-[(8S,10S,13S,14S)-10,13-Dimethyl-3-oxo-6,7,8,12,14,15-Hexahydrocyclopenta[a]Phenanthren-17-yl]-2-Oxoethyl] Acetate; Pregna-1,4,9(11),16-Tetraene-3,20-Dione, 21-(Acetyloxy)-; 21-Acetoxypregna-1,4,9(11),16-Tetrene-3,20-Dione; 21-Acetoxypregna-1,4,9(11),16(17)-Tetraene-3,20-Dione; 2-[(3aS,3bS,9aS,11aS)-9a,11a-Dimethyl-7-oxo-3H,3aH,3bH,4H,5H,7H,9aH,11H,11aH-Cyclopenta[a]Phenanthren-1-yl]-2-Oxoethyl Acetate; 3,20-Dioxopregna-1,4,911,16-Tetraen-21-YL Acetate
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Properties

Summary

Formula
C23H26O4
Molecular Mass
366.45000
Exact Mass
366.18300
PSA
60.44000
Logp
3.88290
IUPAC
[2-[(8S,10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
SMILES
CC(=O)OCC(=O)C1=CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)C=C[C@@]43C)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
173-175°C
Density
1.21g/cm3
Boiling Point
534.6ºC at 760mmHg
Flash Point
233.1ºC

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